3-pentoxyoxane

C10H20O2 — CID 54336380

IUPAC3-pentoxyoxane
SMILESCCCCCOC1CCCOC1
InChIInChI=1S/C10H20O2/c1-2-3-4-8-12-10-6-5-7-11-9-10/h10H,2-9H2,1H3
InChIKeyLZHXBPJYBSPWSF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds5

About 3-pentoxyoxane

3-pentoxyoxane (PubChem CID 54336380) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-pentoxyoxane.

Molecular Properties

Compound Name3-pentoxyoxane
PubChem CID54336380
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-pentoxyoxane
SMILESCCCCCOC1CCCOC1
InChIInChI=1S/C10H20O2/c1-2-3-4-8-12-10-6-5-7-11-9-10/h10H,2-9H2,1H3
InChIKeyLZHXBPJYBSPWSF-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-hexoxy-oxacyclotetradecan-3-ol
CID 173215494
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
8-hexoxyoxecan-3-ol
CID 173215315
3-propoxyoxolane
CID 14071397
heptoxycyclopropane
CID 54099544
butoxycyclobutane
CID 54057236
3-octyloxane
CID 69236112
1-ethoxy-4-hexoxycyclohexane
CID 147022477
2-octacosoxyoxane
CID 11214102
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
(2S,5R)-2,5-dibutoxyoxane
CID 2311827

Frequently Asked Questions

What is the IUPAC name of 3-pentoxyoxane?
The IUPAC name of 3-pentoxyoxane (CID 54336380) is 3-pentoxyoxane.
What is the SMILES notation for 3-pentoxyoxane?
The canonical SMILES for 3-pentoxyoxane is CCCCCOC1CCCOC1.
What is the InChIKey of 3-pentoxyoxane?
The InChIKey is LZHXBPJYBSPWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-8-12-10-6-5-7-11-9-10/h10H,2-9H2,1H3.
What are the key properties of 3-pentoxyoxane?
3-pentoxyoxane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxyoxane is sourced from PubChem (CID 54336380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).